1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine

C19H22Cl2N2O4S2 — CID 15992527

IUPAC1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)C(C)C2)ccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S2/c1-13-10-16(4-6-18(13)20)28(24,25)22-8-9-23(15(3)12-22)29(26,27)17-5-7-19(21)14(2)11-17/h4-7,10-11,15H,8-9,12H2,1-3H3
InChIKeyXKEGDBWYSTVGLV-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.69
Rot. Bonds4

About 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine

1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine (PubChem CID 15992527) has the molecular formula C19H22Cl2N2O4S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
PubChem CID15992527
Molecular FormulaC19H22Cl2N2O4S2
Molecular Weight477.44 g/mol
Exact Mass476.04
IUPAC Name1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)C(C)C2)ccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S2/c1-13-10-16(4-6-18(13)20)28(24,25)22-8-9-23(15(3)12-22)29(26,27)17-5-7-19(21)14(2)11-17/h4-7,10-11,15H,8-9,12H2,1-3H3
InChIKeyXKEGDBWYSTVGLV-UHFFFAOYSA-N
XLogP3.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
CID 110707659
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090
(2R)-2-methyl-1,4-bis[(2,4,5-trichlorophenyl)sulfonyl]piperazine
CID 98212086
(2R)-1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98161840
(2S)-1,4-bis(dibenzofuran-2-ylsulfonyl)-2-methylpiperazine
CID 92853639

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine (CID 15992527) is 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine is Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)C(C)C2)ccc1Cl.
What is the InChIKey of 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine?
The InChIKey is XKEGDBWYSTVGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S2/c1-13-10-16(4-6-18(13)20)28(24,25)22-8-9-23(15(3)12-22)29(26,27)17-5-7-19(21)14(2)11-17/h4-7,10-11,15H,8-9,12H2,1-3H3.
What are the key properties of 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine?
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine has a molecular weight of 477.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 15992527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).